methyl 2-[3-[[6-azanyl-2-(2-methoxyethylsulfanyl)-8-oxidanylidene-7H-purin-9-yl]methyl]phenyl]ethanoate

Systemtic Name: methyl 2-[3-[[6-azanyl-2-(2-methoxyethylsulfanyl)-8-oxidanylidene-7H-purin-9-yl]methyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[[6-amino-2-(2-methoxyethylsulfanyl)-8-oxo-7H-purin-9-yl]methyl]phenyl]acetate CAS Name: 2-[3-[[6-amino-2-(2-methoxyethylthio)-8-oxo-7H-purin-9-yl]methyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[[6-amino-2-(2-methoxyethylsulfanyl)-8-oxo-7H-purin-9-yl]methyl]phenyl]acetate Traditional Name: 2-[3-[[6-amino-8-keto-2-(2-methoxyethylthio)-7H-purin-9-yl]methyl]phenyl]acetic acid methyl ester Formula: C18H21N5O4S MolecularWeight: 403.45544

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Descriptors Computed from Structure

Canonical SMILES:

COCCSC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC(=C3)CC(=O)OC

Isomeric SMILES

COCCSC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC(=C3)CC(=O)OC

InChI

InChI=1S/C18H21N5O4S/c1-26-6-7-28-17-21-15(19)14-16(22-17)23(18(25)20-14)10-12-5-3-4-11(8-12)9-13(24)27-2/h3-5,8H,6-7,9-10H2,1-2H3,(H,20,25)(H2,19,21,22)